N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide

C15H22ClNO2 — CID 63391137

IUPACN-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
SMILESCCOc1ccccc1C(=O)N(CCCCl)C(C)C
InChIInChI=1S/C15H22ClNO2/c1-4-19-14-9-6-5-8-13(14)15(18)17(12(2)3)11-7-10-16/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyWVZNSJGKROYJHK-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.56
Rot. Bonds7

About N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide

N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide (PubChem CID 63391137) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
PubChem CID63391137
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
SMILESCCOc1ccccc1C(=O)N(CCCCl)C(C)C
InChIInChI=1S/C15H22ClNO2/c1-4-19-14-9-6-5-8-13(14)15(18)17(12(2)3)11-7-10-16/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyWVZNSJGKROYJHK-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 63391141
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
CID 102871986
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 81461932
N-(3-chloropropyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 63390906
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide
CID 107016692
N-(2-chloroethyl)-2-methylsulfanyl-N-propan-2-ylbenzamide
CID 79206105
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide (CID 63391137) is N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide is CCOc1ccccc1C(=O)N(CCCCl)C(C)C.
What is the InChIKey of N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide?
The InChIKey is WVZNSJGKROYJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-19-14-9-6-5-8-13(14)15(18)17(12(2)3)11-7-10-16/h5-6,8-9,12H,4,7,10-11H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide?
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 63391137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).